(3,4-difluoro-2,3-dimethylpentan-2-yl) methyl carbonate

C9H16F2O3 — CID 59289684

IUPAC(3,4-difluoro-2,3-dimethylpentan-2-yl) methyl carbonate
SMILESCOC(=O)OC(C)(C)C(C)(F)C(C)F
InChIInChI=1S/C9H16F2O3/c1-6(10)9(4,11)8(2,3)14-7(12)13-5/h6H,1-5H3
InChIKeyJNPJUSJGOTZIKE-UHFFFAOYSA-N
MW210.22 g/mol
LogP2.63
Rot. Bonds3

About (3,4-difluoro-2,3-dimethylpentan-2-yl) methyl carbonate

(3,4-difluoro-2,3-dimethylpentan-2-yl) methyl carbonate (PubChem CID 59289684) has the molecular formula C9H16F2O3 and a molecular weight of 210.22 g/mol. Its IUPAC name is (3,4-difluoro-2,3-dimethylpentan-2-yl) methyl carbonate.

Molecular Properties

Compound Name(3,4-difluoro-2,3-dimethylpentan-2-yl) methyl carbonate
PubChem CID59289684
Molecular FormulaC9H16F2O3
Molecular Weight210.22 g/mol
Exact Mass210.11
IUPAC Name(3,4-difluoro-2,3-dimethylpentan-2-yl) methyl carbonate
SMILESCOC(=O)OC(C)(C)C(C)(F)C(C)F
InChIInChI=1S/C9H16F2O3/c1-6(10)9(4,11)8(2,3)14-7(12)13-5/h6H,1-5H3
InChIKeyJNPJUSJGOTZIKE-UHFFFAOYSA-N
XLogP2.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl] carbonate
CID 57673556
(3,4-Difluoro-2,3-dimethylpentan-2-yl) (3-fluoro-2,3-dimethylbutan-2-yl) carbonate
CID 59289683
(3,5-Difluoro-2,3-dimethylhexan-2-yl) methyl carbonate
CID 59289685
Bis(3,5-difluoro-2,3-dimethylhexan-2-yl) carbonate
CID 59289689
Bis[2,4-difluoro-3-(fluoromethyl)pentan-3-yl] carbonate
CID 88584913
Bis(3,4-difluoro-2,3-dimethylpentan-2-yl) carbonate
CID 89771215
(3,4-Difluoro-3-methylpentan-2-yl) propan-2-yl carbonate
CID 59289688
Methyl 2,3,4-trimethylpentan-3-yl carbonate
CID 87747556
Bis(2,3-dimethylpentan-2-yl) carbonate
CID 89599758
Methyl 2-methylpentan-2-yl carbonate
CID 89729557
Methyl 2,3,3,4,4-pentamethylpentan-2-yl carbonate
CID 90703175

Frequently Asked Questions

What is the IUPAC name of (3,4-difluoro-2,3-dimethylpentan-2-yl) methyl carbonate?
The IUPAC name of (3,4-difluoro-2,3-dimethylpentan-2-yl) methyl carbonate (CID 59289684) is (3,4-difluoro-2,3-dimethylpentan-2-yl) methyl carbonate.
What is the SMILES notation for (3,4-difluoro-2,3-dimethylpentan-2-yl) methyl carbonate?
The canonical SMILES for (3,4-difluoro-2,3-dimethylpentan-2-yl) methyl carbonate is COC(=O)OC(C)(C)C(C)(F)C(C)F.
What is the InChIKey of (3,4-difluoro-2,3-dimethylpentan-2-yl) methyl carbonate?
The InChIKey is JNPJUSJGOTZIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O3/c1-6(10)9(4,11)8(2,3)14-7(12)13-5/h6H,1-5H3.
What are the key properties of (3,4-difluoro-2,3-dimethylpentan-2-yl) methyl carbonate?
(3,4-difluoro-2,3-dimethylpentan-2-yl) methyl carbonate has a molecular weight of 210.22 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluoro-2,3-dimethylpentan-2-yl) methyl carbonate is sourced from PubChem (CID 59289684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).